Annotated GW output

This page explains the output from 1-shot GW and QSGW calculations. The lmgw1-shot script is used for the 1-shot GW calculation and the lmgwsc script is used for the QSGW calculation. The output from both lmgw1-shot and lmgwsc are similar. The main difference is the construction of a full self-energy (not just the diagonal terms). This is converted into an effective exchange-correlation potential in the lqpe step.

Consider the following output from lmgw1-shot broken down into individual lines: